Wave-packet study of H2 formation on a graphite surface through the Langmuir-Hinshelwood mechanism.
Morisset S, Aguillon F, Sizun M, Sidis V.
Morisset S, et al.
J Chem Phys. 2005 May 15;122(19):194702. doi: 10.1063/1.1896353.
J Chem Phys. 2005.
PMID: 16161601
The interaction potential is modeled to reproduce the experimental properties of H physisorption on graphite. Extending our previous work [S. Morisset, F. Aguillon, M. Sizun, and V. Sidis, J. Chem. Phys. 121, 6493 (2004)], full-dimensionality quantum calculations ar …
The interaction potential is modeled to reproduce the experimental properties of H physisorption on graphite. Extending our previous work [ …